5-(5-chloro-1-methylimidazol-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine

C12H18ClN5 — CID 114239557

IUPAC5-(5-chloro-1-methylimidazol-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
SMILESCn1c(Cl)cnc1C1CN=C(N)N1C1CCCC1
InChIInChI=1S/C12H18ClN5/c1-17-10(13)7-15-11(17)9-6-16-12(14)18(9)8-4-2-3-5-8/h7-9H,2-6H2,1H3,(H2,14,16)
InChIKeyNJRKHWBLRXXTNN-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.69
Rot. Bonds2

About 5-(5-chloro-1-methylimidazol-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine

5-(5-chloro-1-methylimidazol-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine (PubChem CID 114239557) has the molecular formula C12H18ClN5 and a molecular weight of 267.76 g/mol. Its IUPAC name is 5-(5-chloro-1-methylimidazol-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(5-chloro-1-methylimidazol-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
PubChem CID114239557
Molecular FormulaC12H18ClN5
Molecular Weight267.76 g/mol
Exact Mass267.13
IUPAC Name5-(5-chloro-1-methylimidazol-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
SMILESCn1c(Cl)cnc1C1CN=C(N)N1C1CCCC1
InChIInChI=1S/C12H18ClN5/c1-17-10(13)7-15-11(17)9-6-16-12(14)18(9)8-4-2-3-5-8/h7-9H,2-6H2,1H3,(H2,14,16)
InChIKeyNJRKHWBLRXXTNN-UHFFFAOYSA-N
XLogP1.69
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-chloro-1-methylimidazol-2-yl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 130490939
1-cycloheptyl-5-(3,5-dichlorophenyl)-4,5-dihydroimidazol-2-amine
CID 79496568
1-cycloheptyl-5-(3-methylimidazol-4-yl)-4,5-dihydroimidazol-2-amine
CID 79496609
1-cyclopentyl-5-phenyl-4,5-dihydroimidazol-2-amine
CID 79521565
5-(4-chloro-2-fluorophenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
CID 114867836
5-(3-chloro-4-methoxyphenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
CID 79521731
5-(2-bromo-5-chlorophenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
CID 79520590
1-cycloheptyl-5-(3-ethylimidazol-4-yl)-4,5-dihydroimidazol-2-amine
CID 79498756
5-(4-bromo-5-methylthiophen-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
CID 102845819
5-chloro-1-methyl-2-(1-methylpyrrolidin-3-yl)imidazole
CID 117259141
5-(4-bromo-3-methylphenyl)-1-cycloheptyl-4,5-dihydroimidazol-2-amine
CID 79497674
4-(5-chloro-1-methylimidazol-2-yl)-1-ethylpiperidine
CID 117259171

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1-methylimidazol-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(5-chloro-1-methylimidazol-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine (CID 114239557) is 5-(5-chloro-1-methylimidazol-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(5-chloro-1-methylimidazol-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(5-chloro-1-methylimidazol-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine is Cn1c(Cl)cnc1C1CN=C(N)N1C1CCCC1.
What is the InChIKey of 5-(5-chloro-1-methylimidazol-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine?
The InChIKey is NJRKHWBLRXXTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5/c1-17-10(13)7-15-11(17)9-6-16-12(14)18(9)8-4-2-3-5-8/h7-9H,2-6H2,1H3,(H2,14,16).
What are the key properties of 5-(5-chloro-1-methylimidazol-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine?
5-(5-chloro-1-methylimidazol-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine has a molecular weight of 267.76 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1-methylimidazol-2-yl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 114239557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).